SCHEMBL22800150

SCHEMBL22800150

C=CCCCCOc1ccccc1C(=O)N[C@@H](CC=C)C(=O)N(C)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ LIG1 P18858 1/20 0.40
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ THRB P10828 1/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22800170 0.97 KDM4E (0.43) KDM4ELIG1LMNASMN1; SMN2NPSR1
SCHEMBL22800154 0.91 ALDH1A1 (0.46) KDM4ELIG1LMNANPSR1FAAH
SCHEMBL22799633 0.87 LIG1 (0.44) KDM4ELIG1LMNASMN1; SMN2NPSR1
SCHEMBL22799638 0.86 KDM4E (0.38) KDM4ELIG1LMNASMN1; SMN2NPSR1
SCHEMBL22799765 0.84 MAPT (0.35) LMNAALDH1A1THRBMAPTJAK3
SCHEMBL22800283 0.79 FNTA (0.34) KDM4EALDH1A1L3MBTL1JAK3BTK
SCHEMBL22800873 0.79 JAK3 (0.33) KDM4ENPSR1MAPTJAK3BTK
SCHEMBL22800181 0.78 KDM4E (0.37) KDM4ELMNASMN1; SMN2ALDH1A1HDAC6
SCHEMBL22800074 0.75 ICMT (0.35) KDM4ELIG1LMNASMN1; SMN2MEN1
SCHEMBL22800160 0.74 KDM4E (0.64) KDM4ELIG1LMNASMN1; SMN2NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 2020-12-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 KDM4E 1957/4885LIG1 4527/4885LMNA 1070/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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